Pentaquine monophosphate

Modify Date: 2025-09-20 12:02:24

Pentaquine monophosphate structure	Common Name	Pentaquine monophosphate
	CAS Number	5428-64-8	Molecular Weight	399.42200
	Density	N/A	Boiling Point	472.7ºC at 760mmHg
	Molecular Formula	C₁₈H₃₀N₃O₅P	Melting Point	N/A
	MSDS	N/A	Flash Point	239.7ºC

Name	Pentaquine monophosphate
Synonym	More Synonyms

Boiling Point	472.7ºC at 760mmHg
Molecular Formula	C₁₈H₃₀N₃O₅P
Molecular Weight	399.42200
Flash Point	239.7ºC
Exact Mass	399.19200
PSA	133.75000
LogP	3.35890
InChIKey	MFHDWFVXLYMMKW-UHFFFAOYSA-N
SMILES	COc1cc(NCCCCCNC(C)C)c2ncccc2c1.O=P(O)(O)O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VC0260000

CHEMICAL NAME :: Quinoline, 8-((5-(isopropylamino)pentyl)amino)-6-methoxy-, phosphate

CAS REGISTRY NUMBER :: 5428-64-8

LAST UPDATED :: 199712

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C18-H27-N3-O.H3-O4-P

MOLECULAR WEIGHT :: 399.48

WISWESSER LINE NOTATION :: T66 BNJ HO1 JM5MY &QPQQO

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 500 ug/plate

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 325,7,1994

HS Code	2933499090

HS Code	2933499090
Summary	2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

pentaquinephosphate

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Product Name: Pentaquine monophosphate
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